C361-2318 Screening compound: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N~4~-[2-(1-cyclohexenyl)ethyl]-4-piperidinecarboxamide

C361-2318 Screening compound: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N~4~-[2-(1-cyclohexenyl)ethyl]-4-piperidinecarboxamide
C361-2318 Screening compound: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N~4~-[2-(1-cyclohexenyl)ethyl]-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C361-2318
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N~4~-[2-(1-cyclohexenyl)ethyl]-4-piperidinecarboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C361-2318

Molecular Formula

C20H26N4O3S2 (C20 H26 N4 O3 S2)

Compound Name

1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N~4~-[2-(1-cyclohexenyl)ethyl]-4-piperidinecarboxamide

IUPAC name

n/a

SMILES

O=C(C(CC1)CCN1S(c1cccc2nsnc12)(=O)=O)NCCC1=CCCCC1

InChI

InChI=1S/C20H26N4O3S2/c25-20(21-12-9-15-5-2-1-3-6-15)16-10-13-24(14-11-16)29(26,27)18-8-4-7-17-19(18)23-28-22-17/h4-5,7-8,16H,1-3,6,9-14H2,(H,21,25)

InChI Key

UQBWDURADFFQIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14753200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.899

Distribution Coefficient, logD

2.899

Water Solubility, LogSw

-3.35

Polar Surface Area

77.349

Acid Dissociation Constant (pKa)

14.61

Base Dissociation Constant (pKb)

0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

C361-2318 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C361-2318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C361-2318?
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What is the minimum amount of C361-2318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C361-2318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C361-2318
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C361-2318 available by request